Information card for entry 4129500

Structure parameters

• Formula: C75 H45 Al3 Cl O16
• Calculated formula: C75 H45 Al3 Cl1.02 O16
• Title of publication: MOF Crystal Chemistry Paving the Way to Gas Storage Needs: Aluminum-Based soc-MOF for CH4, O2, and CO2 Storage.
• Authors of publication: Alezi, Dalal; Belmabkhout, Youssef; Suyetin, Mikhail; Bhatt, Prashant M.; Weseliński, Łukasz J; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid; Eddaoudi, Mohamed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 41
• Pages of publication: 13308 - 13318
• a: 35.7316 ± 0.0002 Å
• b: 35.7316 ± 0.0002 Å
• c: 35.7316 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 45620.2 ± 0.4 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.2242
• Residual factor for significantly intense reflections: 0.1498
• Weighted residual factors for significantly intense reflections: 0.3979
• Weighted residual factors for all reflections included in the refinement: 0.4287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 1.0402 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No